Summary

IMPPAT Phytochemical identifier: IMPHY006461

Phytochemical name: Pericalline

Synonymous chemical names:
pericalline

External chemical identifiers:
CID:6436240, ChEMBL:CHEMBL486306

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Chemical structure information

SMILES:
C/C=C1/CN2CC[C@H]1C(=C)c1c(C2)cc2c(c1)[nH]cc2

InChI:
InChI=1S/C18H20N2/c1-3-13-10-20-7-5-16(13)12(2)17-9-18-14(4-6-19-18)8-15(17)11-20/h3-4,6,8-9,16,19H,2,5,7,10-11H2,1H3/b13-3-/t16-/m0/s1

InChIKey:
YBWKMVPRGFJPHD-LELDJUSMSA-N

DeepSMILES:
C/C=C/CNCC[C@H]/6C=C)ccC8)cccc6)[nH]cc5

Functional groups:
C/C=C(/C)C, CN(C)C, cC(=C)C, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2CCC1C(=C)c1cc3[nH]ccc3cc1C2

Scaffold Graph/Node level:
CC1CN2CCC1C(C)C1CC3NCCC3CC1C2

Scaffold Graph level:
CC1CC2CCC1C(C)C1CC3CCCC3CC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzazocines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.799

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Chemical structure download